2,3-Dihydro-3-(hydroxymethyl)-2-thioxo-5-benzoxazolecarboxylic acid methyl ester

Base Information

Chemical Name:2,3-Dihydro-3-(hydroxymethyl)-2-thioxo-5-benzoxazolecarboxylic acid methyl ester
CAS No.:72730-40-6
Molecular Formula:C₁₀H₉NO₄S
Molecular Weight:239.252
Hs Code.:
DSSTox Substance ID:DTXSID30500967
Wikidata:Q82353029
Mol file:72730-40-6.mol

Synonyms:72730-40-6;2,3-Dihydro-3-(hydroxymethyl)-2-thioxo-5-benzoxazolecarboxylic acid methyl ester;DTXSID30500967;FT-0768491;methyl 3-(hydroxymethyl)-2-sulfanylidene-1,3-benzoxazole-5-carboxylate;Methyl 3-(hydroxymethyl)-2-sulfanylidene-2,3-dihydro-1,3-benzoxazole-5-carboxylate

Suppliers and Price of 2,3-Dihydro-3-(hydroxymethyl)-2-thioxo-5-benzoxazolecarboxylic acid methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2,3-DIHYDRO-3-(HYDROXYMETHYL)-2-THIOXO-5-BENZOXAZOLECARBOXYLIC ACID METHYL ESTER 95.00%
5MG
$ 505.58

Total 5 raw suppliers

Chemical Property of 2,3-Dihydro-3-(hydroxymethyl)-2-thioxo-5-benzoxazolecarboxylic acid methyl ester

Chemical Property:

PSA：96.69000
LogP:1.70020
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:239.02522894
Heavy Atom Count:16
Complexity:309

Purity/Quality:

95% ^*data from raw suppliers

2,3-DIHYDRO-3-(HYDROXYMETHYL)-2-THIOXO-5-BENZOXAZOLECARBOXYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC2=C(C=C1)OC(=S)N2CO

Technology Process of 2,3-Dihydro-3-(hydroxymethyl)-2-thioxo-5-benzoxazolecarboxylic acid methyl ester

There total 4 articles about 2,3-Dihydro-3-(hydroxymethyl)-2-thioxo-5-benzoxazolecarboxylic acid methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 7341-98-2
2-thioxo-2,3-dihydrobenzo[d]oxazole-5-carboxylic acid

: 72730-40-6
3-hydroxymethyl-2-thioxo-2,3-dihydro-benzooxazole-5-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂

2: H₂O / 70 - 80 °C

With thionyl chloride; In water;

Reference yield:

: 536-25-4
methyl 3-amino-4-hydroxybenzoate

: 72730-40-6
3-hydroxymethyl-2-thioxo-2,3-dihydro-benzooxazole-5-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: aq. KOH / ethanol / Heating

2: H₂O / 70 - 80 °C

With potassium hydroxide; In ethanol; water;

Reference yield:

: 1571-72-8
3-amino-4-hydroxybenzoic acid

: 72730-40-6
3-hydroxymethyl-2-thioxo-2,3-dihydro-benzooxazole-5-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: aq. KOH / ethanol / Heating

2: SOCl₂

3: H₂O / 70 - 80 °C

With potassium hydroxide; thionyl chloride; In ethanol; water;